2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide

C19H16ClNO3 — CID 8797487

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2c(O)ccc3ccccc23)ccc1Cl
InChIInChI=1S/C19H16ClNO3/c1-12-10-14(7-8-16(12)20)24-11-18(23)21-19-15-5-3-2-4-13(15)6-9-17(19)22/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyRAHIVGLKSJLTFZ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide (PubChem CID 8797487) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide
PubChem CID8797487
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2c(O)ccc3ccccc23)ccc1Cl
InChIInChI=1S/C19H16ClNO3/c1-12-10-14(7-8-16(12)20)24-11-18(23)21-19-15-5-3-2-4-13(15)6-9-17(19)22/h2-10,22H,11H2,1H3,(H,21,23)
InChIKeyRAHIVGLKSJLTFZ-UHFFFAOYSA-N
XLogP4.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443
N-(2-amino-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 43376738
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
N-(4-amino-2-chloro-6-methylphenyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 100828362
2-(4-chloro-3-methylphenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5229956
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethyl-N-naphthalen-1-ylbenzamide
CID 4940764
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide (CID 8797487) is 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide is Cc1cc(OCC(=O)Nc2c(O)ccc3ccccc23)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide?
The InChIKey is RAHIVGLKSJLTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-12-10-14(7-8-16(12)20)24-11-18(23)21-19-15-5-3-2-4-13(15)6-9-17(19)22/h2-10,22H,11H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 341.79 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 8797487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).